3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide

C22H28N2O3S — CID 30948744

IUPAC3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-13-24(16-19-10-11-19)22(25)20-12-9-17(2)21(14-20)28(26,27)23-15-18-7-5-4-6-8-18/h4-9,12,14,19,23H,3,10-11,13,15-16H2,1-2H3
InChIKeyUQWFYDAEOQYPDU-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.74
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide

3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide (PubChem CID 30948744) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
PubChem CID30948744
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-13-24(16-19-10-11-19)22(25)20-12-9-17(2)21(14-20)28(26,27)23-15-18-7-5-4-6-8-18/h4-9,12,14,19,23H,3,10-11,13,15-16H2,1-2H3
InChIKeyUQWFYDAEOQYPDU-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
3-(benzylsulfamoyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,4-dimethylbenzamide
CID 40881258
N-(cyclopropylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 78785842
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide
CID 55854533
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-benzyl-2-methylbenzenesulfonamide
CID 8732788
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide
CID 43020416
N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
CID 56884216

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide (CID 30948744) is 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide?
The InChIKey is UQWFYDAEOQYPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-13-24(16-19-10-11-19)22(25)20-12-9-17(2)21(14-20)28(26,27)23-15-18-7-5-4-6-8-18/h4-9,12,14,19,23H,3,10-11,13,15-16H2,1-2H3.
What are the key properties of 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide?
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide is sourced from PubChem (CID 30948744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).